Basic information
- CAS
2404-18-4- Standard SMILES
Cl.Cl.O=C(OCCN1CCCCC1)C(c1ccccc1)N1CCCCC1- InChIKey
CBACFHTXHGHTMH-UHFFFAOYSA-N- Molecular formula
- C20H32Cl2N2O2
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 402.1840837
Names & identifiers
- Preferred name
- Dipiproverine Hydrochloride
- IUPAC
- 2-piperidin-1-ylethyl 2-phenyl-2-piperidin-1-ylacetate;dihydrochloride
- English name
- 1-(alpha-(2-piperidinioethoxycarbonyl)benzyl)piperidinium dichloride
- Molecular formula
- C20H30N2O2.2ClH
- Molecular weight
- 366.93
Names & synonyms
Dipiproverine hydrochloride2404-18-4Dipiproverine dihydrochlorideUNII-8UYY5B89ZUEINECS 219-293-3Dichlorhydrate de dipiproverineDichlorhydrate de dipiproverine [French]L.D. 935Piperidinoethyl alpha-piperidinophenylacetate dihydrochloridealpha-Phenyl-1-piperidineacetic acid 2-piperidinoethyl ester dihydrochlorideDIPIPROVERINE DIHYDROCHLORIDE [MI]1-Piperidine-ethanol alpha-phenyl-1-piperidineacetate ester, as dihydrochloride
Show more names
1-(alpha-(2-piperidinioethoxycarbonyl)benzyl)piperidinium dichloride2-piperidin-1-ylethyl 2-phenyl-2-piperidin-1-ylacetate dihydrochloride2-phenyl-2-piperidino-acetic acid 2-piperidinoethyl ester dihydrochloride2-piperidin-1-ylethyl 2-phenyl-2-piperidin-1-yl-ethanoate dihydrochloride
1-Piperidineacetic acid, alpha-phenyl-, 2-piperidinoethyl ester, dihydrochloride1-Piperidineethanol, alpha-phenyl-1-piperidineacetate (ester), dihydrochloride1-PIPERIDINE-ETHANOL .ALPHA.-PHENYL-1-PIPERIDINEACETATE ESTER, AS DIHYDROCHLORIDERefChem:134756219-293-3LevospasmeDipiproverine HClLD 935
Database identifiers
- CAS
2404-18-4- PubChem CID
- 72071
- DTXSID
DTXSID50946888- ChEMBL
CHEMBL2106569- UNII
- 8UYY5B89ZU
- EC Number
- 219-293-3
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Melting point
- 212 · 212-214° (Wunderlich), 238° (Najer)
- FDA UNII
- 8 UYY5B89ZU · 8UYY5B89ZU
- Toxicity
- 50 oral · LD50 oral in rat: 2gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 2gm/kg
Chemistry & industry
Applications
UsesDipiproverine (hydrochloride) is the hydrochloride form of Dipiproverine (HY-118524). Dipiproverine (hydrochloride) is an alpha-amino acid ester, an antispasmodic compound, which is used as an anticholinergic agent[1].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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